- InChI
- InChI=1S/C26H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27/h26H,2-25H2,1H3
- InChI Key
- QAXXQMIHMLTJQI-UHFFFAOYSA-N
- Formula
- C26H52O
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCCCC=O
- Molecular Weight1
- 380.70
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 1.1463 | Relay (1.0) Calculated Property | |
| ΔfG° | 68.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -685.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.568 | Crippen Calculated Property | |
| McVol | 378.770 | ml/mol | McGowan Calculated Property |
| Pc | 754.74 | kPa | Joback Calculated Property |
| Inp | [2815.00; 2833.50] |
|
|
| Inp | 2833.50 | NIST | |
| Inp | 2815.00 | NIST | |
| Inp | 2830.00 | NIST | |
| Tboil | 636.87 | K | Relay (1.0) Calculated Property |
| Tc | 830.85 | K | Relay (1.0) Calculated Property |
| Tfus | 340.42 | K | Relay (1.0) Calculated Property |
| Vc | 1.502 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [561.95; 1351.47] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -9.34600e+00 | |||
| Coefficient B | 2.44832e+00 | |||
| Coefficient C | -1.38360e-03 | |||
| Coefficient D | 2.96100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 561.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 696.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 817.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 925.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1021.19 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1105.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1180.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1245.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1302.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1351.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014732; 0.0000839] | Pa×s | [424.78; 723.04] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.34680e+01 | |||
| Coefficient B | 2.95123e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 424.78 | |||
| Temperature range, max. | 723.04 | |||
| η | 0.0014732 | Pa×s | 424.78 | Calculated Property |
| η | 0.0008910 | Pa×s | 457.92 | Calculated Property |
| η | 0.0005768 | Pa×s | 491.06 | Calculated Property |
| η | 0.0003945 | Pa×s | 524.20 | Calculated Property |
| η | 0.0002822 | Pa×s | 557.34 | Calculated Property |
| η | 0.0002097 | Pa×s | 590.48 | Calculated Property |
| η | 0.0001608 | Pa×s | 623.62 | Calculated Property |
| η | 0.0001266 | Pa×s | 656.76 | Calculated Property |
| η | 0.0001020 | Pa×s | 689.90 | Calculated Property |
| η | 0.0000839 | Pa×s | 723.04 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexacosanal.
Sources
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